3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]-N-[2-[3-[4-(3-ethynylanilino)-6-hydroxyquinazolin-7-yl]oxypropanoylamino]ethyl]propanamide;3-[6-[3-[2-[3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoylamino]ethylamino]-3-oxopropoxy]-4-(3-ethynylanilino)quinazolin-7-yl]oxypropyl formate;methane;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-17-ethenyl-12-ethyl-18,22,27-trimethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-12-ethyl-17-(1-hexoxyethyl)-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate

C259H292N34O31 — CID 158419334

About 3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]-N-[2-[3-[4-(3-ethynylanilino)-6-hydroxyquinazolin-7-yl]oxypropanoylamino]ethyl]propanamide;3-[6-[3-[2-[3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoylamino]ethylamino]-3-oxopropoxy]-4-(3-ethynylanilino)quinazolin-7-yl]oxypropyl formate;methane;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-17-ethenyl-12-ethyl-18,22,27-trimethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-12-ethyl-17-(1-hexoxyethyl)-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate

3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]-N-[2-[3-[4-(3-ethynylanilino)-6-hydroxyquinazolin-7-yl]oxypropanoylamino]ethyl]propanamide;3-[6-[3-[2-[3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoylamino]ethylamino]-3-oxopropoxy]-4-(3-ethynylanilino)quinazolin-7-yl]oxypropyl formate;methane;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-17-ethenyl-12-ethyl-18,22,27-trimethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-12-ethyl-17-(1-hexoxyethyl)-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate (PubChem CID 158419334) has the molecular formula C259H292N34O31 and a molecular weight of 4377.39 g/mol. Its IUPAC name is 3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]-N-[2-[3-[4-(3-ethynylanilino)-6-hydroxyquinazolin-7-yl]oxypropanoylamino]ethyl]propanamide;3-[6-[3-[2-[3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoylamino]ethylamino]-3-oxopropoxy]-4-(3-ethynylanilino)quinazolin-7-yl]oxypropyl formate;methane;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-17-ethenyl-12-ethyl-18,22,27-trimethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-12-ethyl-17-(1-hexoxyethyl)-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate.

Molecular Properties

• Compound Name: 3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]-N-[2-[3-[4-(3-ethynylanilino)-6-hydroxyquinazolin-7-yl]oxypropanoylamino]ethyl]propanamide;3-[6-[3-[2-[3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoylamino]ethylamino]-3-oxopropoxy]-4-(3-ethynylanilino)quinazolin-7-yl]oxypropyl formate;methane;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-17-ethenyl-12-ethyl-18,22,27-trimethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-12-ethyl-17-(1-hexoxyethyl)-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate
• PubChem CID: 158419334
• Molecular Formula: C259H292N34O31
• Molecular Weight: 4377.39 g/mol
• Exact Mass: 4374.23
• IUPAC Name: 3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]-N-[2-[3-[4-(3-ethynylanilino)-6-hydroxyquinazolin-7-yl]oxypropanoylamino]ethyl]propanamide;3-[6-[3-[2-[3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoylamino]ethylamino]-3-oxopropoxy]-4-(3-ethynylanilino)quinazolin-7-yl]oxypropyl formate;methane;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-17-ethenyl-12-ethyl-18,22,27-trimethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-12-ethyl-17-(1-hexoxyethyl)-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate
• SMILES: C.C.C.C.C#Cc1cccc(Nc2ncnc3cc(OCCC(=O)NCCNC(=O)CC[C@@H]4/C5=C6\CC(O)=C7C6=NC(=C7C)/C=C6\N=C(/C=C7\N=C(/C=C(\N5)[C@H]4C)C(C)=C7C(C)OCCCCCC)C(C)=C6CC)c(O)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(OCCCOC=O)c(OCCC(=O)NCCNC(=O)CC[C@@H]4/C5=C6\CC(O)=C7C6=NC(=C7C)/C=C6\N=C(/C=C7\N=C(/C=C(\N5)[C@H]4C)C(C)=C7C(C)OCCCCCC)C(C)=C6CC)cc23)c1.C=CC1=C(C)c2cc3[nH]c(c4c5[nH]c(cc6nc(cc1n2)C=C6CC)c(C)c5C(=O)N(Cc1cccc(C#Cc2cccc(Nc5ncnc6cc(OCCOC)c(OCCOC)cc56)c2)c1)C4=O)[C@@H](CCC(=O)OC)C3C.CCCCCCOC(C)C1=C(C)c2cc3[nH]c(c4c5[nH]c(cc6nc(cc1n2)C(C)=C6CC)c(C)c5C(=O)N(Cc1cccc(C#Cc2cccc(Nc5ncnc6cc(OCCOC)c(OCCOC)cc56)c2)c1)C4=O)[C@@H](CCC(=O)OC)C3C
• InChI: InChI=1S/C69H76N8O9.C64H73N9O8.C62H60N8O8.C60H67N9O6.4CH4/c1-11-13-14-15-26-84-44(7)62-42(5)54-34-53-41(4)50(24-25-61(78)83-10)65(75-53)64-66-63(43(6)55(76-66)35-57-49(12-2)40(3)52(73-57)36-58(62)74-54)68(79)77(69(64)80)38-47-20-16-18-45(31-47)22-23-46-19-17-21-48(32-46)72-67-51-33-59(85-29-27-81-8)60(86-30-28-82-9)37-56(51)70-39-71-67;1-9-12-13-14-25-79-41(8)60-39(6)50-31-49-38(5)45(62(72-49)47-29-55(75)61-40(7)51(73-63(47)61)32-53-44(11-3)37(4)48(70-53)33-54(60)71-50)19-20-58(76)65-22-23-66-59(77)21-27-81-56-30-46-52(34-57(56)80-26-16-24-78-36-74)67-35-68-64(46)69-43-18-15-17-42(10-2)28-43;1-9-41-27-43-28-52-44(10-2)35(3)47(67-52)30-48-36(4)45(19-20-55(71)76-8)58(68-48)57-59-56(37(5)49(69-59)31-50(41)65-43)61(72)70(62(57)73)33-40-15-11-13-38(25-40)17-18-39-14-12-16-42(26-39)66-60-46-29-53(77-23-21-74-6)54(78-24-22-75-7)32-51(46)63-34-64-60;1-9-12-13-14-23-74-37(8)56-35(6)46-28-45-34(5)41(58(68-45)43-27-52(71)57-36(7)47(69-59(43)57)29-49-40(11-3)33(4)44(66-49)30-50(56)67-46)18-19-54(72)61-21-22-62-55(73)20-24-75-53-31-48-42(26-51(53)70)60(64-32-63-48)65-39-17-15-16-38(10-2)25-39;;;;/h16-21,31-37,39,41,44,50,75-76H,11-15,24-30,38H2,1-10H3,(H,70,71,72);2,15,17-18,28,30-36,38,41,45,72,75H,9,11-14,16,19-27,29H2,1,3-8H3,(H,65,76)(H,66,77)(H,67,68,69);10-16,25-32,34,36,45,68-69H,2,9,19-24,33H2,1,3-8H3,(H,63,64,66);2,15-17,25-26,28-32,34,37,41,68,70-71H,9,11-14,18-24,27H2,1,3-8H3,(H,61,72)(H,62,73)(H,63,64,65);4*1H4/b53-34-,57-35-,58-36-,65-64+;49-31-,53-32-,54-33-,62-47-;48-30-,50-31-,52-28-,58-57+;45-28-,49-29-,50-30-,58-43-;;;;/t41?,44?,50-;38-,41?,45-;36?,45-;34-,37?,41-;;;;/m0000..../s1
• InChIKey: GMQIXRKAORVERL-CICZVWMXSA-N
• XLogP: 48.34
• TPSA: 824.15 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 55
• Rotatable Bonds: 86
• Heavy Atoms: 324
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4377.39
LogP ≤ 5	48.34
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of 3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]-N-[2-[3-[4-(3-ethynylanilino)-6-hydroxyquinazolin-7-yl]oxypropanoylamino]ethyl]propanamide;3-[6-[3-[2-[3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoylamino]ethylamino]-3-oxopropoxy]-4-(3-ethynylanilino)quinazolin-7-yl]oxypropyl formate;methane;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-17-ethenyl-12-ethyl-18,22,27-trimethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-12-ethyl-17-(1-hexoxyethyl)-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate?

The IUPAC name of 3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]-N-[2-[3-[4-(3-ethynylanilino)-6-hydroxyquinazolin-7-yl]oxypropanoylamino]ethyl]propanamide;3-[6-[3-[2-[3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoylamino]ethylamino]-3-oxopropoxy]-4-(3-ethynylanilino)quinazolin-7-yl]oxypropyl formate;methane;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-17-ethenyl-12-ethyl-18,22,27-trimethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-12-ethyl-17-(1-hexoxyethyl)-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate (CID 158419334) is 3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]-N-[2-[3-[4-(3-ethynylanilino)-6-hydroxyquinazolin-7-yl]oxypropanoylamino]ethyl]propanamide;3-[6-[3-[2-[3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoylamino]ethylamino]-3-oxopropoxy]-4-(3-ethynylanilino)quinazolin-7-yl]oxypropyl formate;methane;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-17-ethenyl-12-ethyl-18,22,27-trimethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-12-ethyl-17-(1-hexoxyethyl)-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate.

What is the SMILES notation for 3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]-N-[2-[3-[4-(3-ethynylanilino)-6-hydroxyquinazolin-7-yl]oxypropanoylamino]ethyl]propanamide;3-[6-[3-[2-[3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoylamino]ethylamino]-3-oxopropoxy]-4-(3-ethynylanilino)quinazolin-7-yl]oxypropyl formate;methane;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-17-ethenyl-12-ethyl-18,22,27-trimethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-12-ethyl-17-(1-hexoxyethyl)-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate?

The canonical SMILES for 3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]-N-[2-[3-[4-(3-ethynylanilino)-6-hydroxyquinazolin-7-yl]oxypropanoylamino]ethyl]propanamide;3-[6-[3-[2-[3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoylamino]ethylamino]-3-oxopropoxy]-4-(3-ethynylanilino)quinazolin-7-yl]oxypropyl formate;methane;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-17-ethenyl-12-ethyl-18,22,27-trimethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-12-ethyl-17-(1-hexoxyethyl)-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate is C.C.C.C.C#Cc1cccc(Nc2ncnc3cc(OCCC(=O)NCCNC(=O)CC[C@@H]4/C5=C6\CC(O)=C7C6=NC(=C7C)/C=C6\N=C(/C=C7\N=C(/C=C(\N5)[C@H]4C)C(C)=C7C(C)OCCCCCC)C(C)=C6CC)c(O)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(OCCCOC=O)c(OCCC(=O)NCCNC(=O)CC[C@@H]4/C5=C6\CC(O)=C7C6=NC(=C7C)/C=C6\N=C(/C=C7\N=C(/C=C(\N5)[C@H]4C)C(C)=C7C(C)OCCCCCC)C(C)=C6CC)cc23)c1.C=CC1=C(C)c2cc3[nH]c(c4c5[nH]c(cc6nc(cc1n2)C=C6CC)c(C)c5C(=O)N(Cc1cccc(C#Cc2cccc(Nc5ncnc6cc(OCCOC)c(OCCOC)cc56)c2)c1)C4=O)[C@@H](CCC(=O)OC)C3C.CCCCCCOC(C)C1=C(C)c2cc3[nH]c(c4c5[nH]c(cc6nc(cc1n2)C(C)=C6CC)c(C)c5C(=O)N(Cc1cccc(C#Cc2cccc(Nc5ncnc6cc(OCCOC)c(OCCOC)cc56)c2)c1)C4=O)[C@@H](CCC(=O)OC)C3C.

What is the InChIKey of 3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]-N-[2-[3-[4-(3-ethynylanilino)-6-hydroxyquinazolin-7-yl]oxypropanoylamino]ethyl]propanamide;3-[6-[3-[2-[3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoylamino]ethylamino]-3-oxopropoxy]-4-(3-ethynylanilino)quinazolin-7-yl]oxypropyl formate;methane;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-17-ethenyl-12-ethyl-18,22,27-trimethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-12-ethyl-17-(1-hexoxyethyl)-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate?

The InChIKey is GMQIXRKAORVERL-CICZVWMXSA-N. The full InChI is InChI=1S/C69H76N8O9.C64H73N9O8.C62H60N8O8.C60H67N9O6.4CH4/c1-11-13-14-15-26-84-44(7)62-42(5)54-34-53-41(4)50(24-25-61(78)83-10)65(75-53)64-66-63(43(6)55(76-66)35-57-49(12-2)40(3)52(73-57)36-58(62)74-54)68(79)77(69(64)80)38-47-20-16-18-45(31-47)22-23-46-19-17-21-48(32-46)72-67-51-33-59(85-29-27-81-8)60(86-30-28-82-9)37-56(51)70-39-71-67;1-9-12-13-14-25-79-41(8)60-39(6)50-31-49-38(5)45(62(72-49)47-29-55(75)61-40(7)51(73-63(47)61)32-53-44(11-3)37(4)48(70-53)33-54(60)71-50)19-20-58(76)65-22-23-66-59(77)21-27-81-56-30-46-52(34-57(56)80-26-16-24-78-36-74)67-35-68-64(46)69-43-18-15-17-42(10-2)28-43;1-9-41-27-43-28-52-44(10-2)35(3)47(67-52)30-48-36(4)45(19-20-55(71)76-8)58(68-48)57-59-56(37(5)49(69-59)31-50(41)65-43)61(72)70(62(57)73)33-40-15-11-13-38(25-40)17-18-39-14-12-16-42(26-39)66-60-46-29-53(77-23-21-74-6)54(78-24-22-75-7)32-51(46)63-34-64-60;1-9-12-13-14-23-74-37(8)56-35(6)46-28-45-34(5)41(58(68-45)43-27-52(71)57-36(7)47(69-59(43)57)29-49-40(11-3)33(4)44(66-49)30-50(56)67-46)18-19-54(72)61-21-22-62-55(73)20-24-75-53-31-48-42(26-51(53)70)60(64-32-63-48)65-39-17-15-16-38(10-2)25-39;;;;/h16-21,31-37,39,41,44,50,75-76H,11-15,24-30,38H2,1-10H3,(H,70,71,72);2,15,17-18,28,30-36,38,41,45,72,75H,9,11-14,16,19-27,29H2,1,3-8H3,(H,65,76)(H,66,77)(H,67,68,69);10-16,25-32,34,36,45,68-69H,2,9,19-24,33H2,1,3-8H3,(H,63,64,66);2,15-17,25-26,28-32,34,37,41,68,70-71H,9,11-14,18-24,27H2,1,3-8H3,(H,61,72)(H,62,73)(H,63,64,65);4*1H4/b53-34-,57-35-,58-36-,65-64+;49-31-,53-32-,54-33-,62-47-;48-30-,50-31-,52-28-,58-57+;45-28-,49-29-,50-30-,58-43-;;;;/t41?,44?,50-;38-,41?,45-;36?,45-;34-,37?,41-;;;;/m0000..../s1.

What are the key properties of 3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]-N-[2-[3-[4-(3-ethynylanilino)-6-hydroxyquinazolin-7-yl]oxypropanoylamino]ethyl]propanamide;3-[6-[3-[2-[3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoylamino]ethylamino]-3-oxopropoxy]-4-(3-ethynylanilino)quinazolin-7-yl]oxypropyl formate;methane;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-17-ethenyl-12-ethyl-18,22,27-trimethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-12-ethyl-17-(1-hexoxyethyl)-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate?

3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]-N-[2-[3-[4-(3-ethynylanilino)-6-hydroxyquinazolin-7-yl]oxypropanoylamino]ethyl]propanamide;3-[6-[3-[2-[3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoylamino]ethylamino]-3-oxopropoxy]-4-(3-ethynylanilino)quinazolin-7-yl]oxypropyl formate;methane;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-17-ethenyl-12-ethyl-18,22,27-trimethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-12-ethyl-17-(1-hexoxyethyl)-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate has a molecular weight of 4377.39 g/mol, XLogP of 48.34, 86 rotatable bonds, 17 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]-N-[2-[3-[4-(3-ethynylanilino)-6-hydroxyquinazolin-7-yl]oxypropanoylamino]ethyl]propanamide;3-[6-[3-[2-[3-[(21S,22S)-11-ethyl-16-(1-hexoxyethyl)-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoylamino]ethylamino]-3-oxopropoxy]-4-(3-ethynylanilino)quinazolin-7-yl]oxypropyl formate;methane;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-17-ethenyl-12-ethyl-18,22,27-trimethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate;methyl 3-[(23S)-4-[[3-[2-[3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]ethynyl]phenyl]methyl]-12-ethyl-17-(1-hexoxyethyl)-13,18,22,27-tetramethyl-3,5-dioxo-4,8,24,25,26-pentazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoate is sourced from PubChem (CID 158419334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).